Geometry & MOs

Info

ID:	365074
PubChem CID:	127316816
Reduced:	SN3O4C19H27 (1)
Stoich.:	AB3C4D19E27 (1)
Weight, g/mol:	330.180424
ΔH_f, kcal/mol:	-139.23
Dipole, Da:	6.38
IP(EA), eV:	-8.82(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoethyl]pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3=CC=CC=C3S(=O)(=O)N4CCOCC4

DOS

IR

Vibrations